1-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-methoxy-naphthalen-2-ol

Systemtic Name: 1-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-methoxy-naphthalen-2-ol Openeye Name: 1-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-methoxy-naphthalen-2-ol CAS Name: 1-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-7-methoxy-2-naphthalenol IUPAC Name: 1-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-methoxynaphthalen-2-ol Traditional Name: 1-[[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-methoxy-2-naphthol Formula: C25H30N2O3+2 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5)O

InChI

InChI=1S/C25H28N2O3/c1-29-21-5-3-19-4-6-24(28)23(22(19)15-21)17-27-11-9-26(10-12-27)16-18-2-7-25-20(14-18)8-13-30-25/h2-7,14-15,28H,8-13,16-17H2,1H3/p+2